N-[4-[(3E,5E,7E)-1,1,3-tricyano-7-[3-methyl-5-(methylsulfonylamino)-1,3-benzoxazol-2-ylidene]hepta-1,3,5-trien-2-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(3E,5E,7E)-1,1,3-tricyano-7-[3-methyl-5-(methylsulfonylamino)-1,3-benzoxazol-2-ylidene]hepta-1,3,5-trien-2-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2E,4E,6E)-2-cyano-1-(dicyanomethylene)-6-[5-(methanesulfonamido)-3-methyl-1,3-benzoxazol-2-ylidene]hexa-2,4-dienyl]phenyl]methanesulfonamide CAS Name: N-[4-[(3E,5E,7E)-1,1,3-tricyano-7-[5-(methanesulfonamido)-3-methyl-1,3-benzoxazol-2-ylidene]hepta-1,3,5-trien-2-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(3E,5E,7E)-1,1,3-tricyano-7-[5-(methanesulfonamido)-3-methyl-1,3-benzoxazol-2-ylidene]hepta-1,3,5-trien-2-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2E,4E,6E)-2-cyano-1-(dicyanomethylene)-6-[5-(methanesulfonamido)-3-methyl-1,3-benzoxazol-2-ylidene]hexa-2,4-dienyl]phenyl]methanesulfonamide Formula: C26H22N6O5S2 MolecularWeight: 562.62008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NS(=O)(=O)C)OC1=CC=CC=C(C#N)C(=C(C#N)C#N)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CN\1C2=C(C=CC(=C2)NS(=O)(=O)C)O/C1=C/C=C/C=C(/C#N)\C(=C(C#N)C#N)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C26H22N6O5S2/c1-32-23-14-22(31-39(3,35)36)12-13-24(23)37-25(32)7-5-4-6-19(15-27)26(20(16-28)17-29)18-8-10-21(11-9-18)30-38(2,33)34/h4-14,30-31H,1-3H3/b5-4+,19-6-,25-7+